{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2848697 -7.0511326 1.090221 ] [ -0.4578182 1.8733376 -4.7922014 ] [ -0.6656134 5.5448939 3.5196321 ] [ 1.2267668 -7.235714 1.9452182 ] [ -1.3882049 6.8686151 -1.7628699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.05858819411431e-09 -1.129715980188072e-08 1.746726597705197e-09 ] [ -7.335056166167387e-10 3.001417705585582e-09 -7.677953045245028e-09 ] [ -1.066430227971199e-09 8.883899371396533e-09 5.639072264437208e-09 ] [ 1.96549708613363e-09 -1.159289180559525e-08 3.116583122394658e-09 ] [ -2.224149435660002e-09 1.100473453049386e-08 -2.824428939292034e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0544309 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.29046208818291e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.443411 0.0790586 2.3327693 ] [ -0.105218 1.7998464 0.5114059 ] [ -0.1433704 2.4780056 3.0257551 ] [ 2.8349357 0.3424211 2.2980283 ] [ 2.0485577 2.5350432 1.6947155 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.43411e-11 7.905860000000001e-12 2.3327693e-10 ] [ -1.05218e-11 1.7998464e-10 5.114059e-11 ] [ -1.433704e-11 2.4780056e-10 3.0257551e-10 ] [ 2.8349357e-10 3.424211e-11 2.2980283e-10 ] [ 2.0485577e-10 2.5350432e-10 1.6947155e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.97e-05 7.9e-06 6.9e-06 ] [ 7.2e-06 5.1e-06 -3.3e-06 ] [ -2.6e-06 -1.13e-05 4.2e-06 ] [ 3.29e-05 -7e-06 2.5e-06 ] [ -7.7e-06 5.3e-06 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.758464563776e-14 1.265719530432e-14 1.105501868352e-14 ] [ 1.153567166976e-14 8.17110076608e-15 -5.28718284864e-15 ] [ -4.16565921408e-15 -1.810459581504e-14 6.72914180736e-15 ] [ 5.271161082432e-14 -1.12152363456e-14 4.005441552e-15 ] [ -1.233675998016e-14 8.491536090240001e-15 -1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426947121468e-18 } }