{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9880723 0.1882185 0.1132521 ] [ -0.4578023 -1.181151 -0.9546649 ] [ -3.5888943 1.2384883 1.6463494 ] [ -7.3217053 2.7386618 -1.8740426 ] [ 3.2084015 -2.2198047 2.6484264 ] [ 2.7567226 -6.3599194 -8.6909748 ] [ 4.4152054 5.5955065 7.1116544 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.583066338720084e-09 3.015592803020448e-10 1.814498668765037e-10 ] [ -7.334801420084679e-10 -1.892412517834541e-09 -1.52954178347837e-09 ] [ -5.750042541982381e-09 1.984276999394337e-09 2.637742518348108e-09 ] [ -1.173066505604745e-08 4.387819908238045e-09 -3.002547240103246e-09 ] [ 5.140425873439652e-09 -3.556519193081958e-09 4.243246859989509e-09 ] [ 4.41675649975099e-09 -1.018971417285236e-08 -1.392447663652195e-08 ] [ 7.073938867909912e-09 8.964989695834435e-09 1.139412641488945e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.461888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.797702870862807e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7632385 2.8732982 1.0644204 ] [ 1.4111263 1.227058 2.7060066 ] [ 1.2835228 2.9854954 4.2352771 ] [ 1.8263073 4.6966166 2.6269117 ] [ 3.6059627 2.581633 4.4196286 ] [ 3.9321532 3.2938903 2.0455793 ] [ 3.9282773 4.9125216 3.8797696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7632385e-10 2.8732982e-10 1.0644204e-10 ] [ 1.4111263e-10 1.227058e-10 2.7060066e-10 ] [ 1.2835228e-10 2.9854954e-10 4.2352771e-10 ] [ 1.8263073e-10 4.6966166e-10 2.6269117e-10 ] [ 3.6059627e-10 2.581633e-10 4.419628600000001e-10 ] [ 3.932153200000001e-10 3.2938903e-10 2.0455793e-10 ] [ 3.9282773e-10 4.9125216e-10 3.8797696e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5866099 0.1619245 0.374485 ] [ -0.2103949 0.1506122 -0.1818898 ] [ 0.2100327 0.1539061 -0.0821308 ] [ 0.0126403 -0.2971413 0.5898911 ] [ -0.0280044 0.4007426 -0.4662801 ] [ -0.0745724 -0.2580193 0.3339303 ] [ -0.4963112 -0.3120247 -0.5680056 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.39852667309826e-10 2.594316482347296e-10 5.999911118402881e-10 ] [ -3.370897899155539e-10 2.413073456472538e-10 -2.914195851219879e-10 ] [ 3.365094815435001e-10 2.465847552185069e-10 -1.315880476076007e-10 ] [ 2.025199313989824e-11 -4.760728439341191e-10 9.45109729237995e-10 ] [ -4.486799495953152e-11 6.420604246786061e-10 -7.470630749642861e-10 ] [ -1.194781558369459e-10 -4.133924901751815e-10 5.350153196367302e-10 ] [ -7.951782012811929e-10 -4.999186794521338e-10 -9.100452928034765e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.763448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.486888757359652e-18 } }