{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 568.7705863 -1731.3985701 -704.8271568 ] [ -911.9773518 885.070796 199.6179381 ] [ 1.1381866 144.0024252 145.2143695 ] [ 38.6477342 415.4802169 299.7415088 ] [ 303.4208447 286.845132 60.2533405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.112709359685688e-07 -2.77400631030077e-06 -1.129257592329896e-06 ] [ -1.461148791753057e-06 1.418039737104046e-06 3.198231935161216e-07 ] [ 1.823575960627841e-09 2.307173189939408e-07 2.326590678171126e-07 ] [ 6.19204961821326e-08 6.656726899220932e-07 4.802388376826775e-07 ] [ 4.861337836417276e-07 4.595765642806899e-07 9.653649347420179e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 914.90894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.46584571382891e-16 } "relaxed-configuration-positions" { "source-value" [ [ 1.3135326 -0.9035144 0.3141388 ] [ -0.7387265 1.4430101 0.2867505 ] [ 0.630307 0.2755175 3.1111288 ] [ 1.6194239 3.404765 -0.2694334 ] [ 0.8319111 3.1148226 2.7265347 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3135326e-10 -9.035144000000001e-11 3.141388e-11 ] [ -7.387265e-11 1.4430101e-10 2.867505e-11 ] [ 6.303069999999999e-11 2.755175e-11 3.1111288e-10 ] [ 1.6194239e-10 3.404765e-10 -2.694334e-11 ] [ 8.319111000000001e-11 3.1148226e-10 2.7265347e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 5.6e-06 -6.3e-06 ] [ -3e-07 3.3e-06 1.4e-05 ] [ -2.3e-06 2.24e-05 -5.6e-06 ] [ 3.9e-06 -1e-05 -2.7e-06 ] [ -7.1e-06 -2.13e-05 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.292624400640001e-15 8.972189076479999e-15 -1.009371271104e-14 ] [ -4.8065298624e-16 5.28718284864e-15 2.24304726912e-14 ] [ -3.68500622784e-15 3.588875630592e-14 -8.972189076479999e-15 ] [ 6.24848882112e-15 -1.6021766208e-14 -4.32587687616e-15 ] [ -1.137545400768e-14 -3.412636202304e-14 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.120343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.781675356987693e-18 } }