{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.1372499 -5.3712663 1.7942716 ] [ 3.2583391 -2.4273487 -2.2657119 ] [ 2.8560377 -5.8147553 1.2474981 ] [ 3.8487439 4.3678382 0.3455108 ] [ -1.9732571 0.086495 -9.3872841 ] [ 2.334468 0.5998492 4.745925 ] [ -2.1870816 8.5591878 3.5197905 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.303731154738714e-08 -8.605717289950919e-09 2.874740008885409e-09 ] [ 5.220434728658513e-09 -3.889041337669273e-09 -3.630070635648348e-09 ] [ 4.575876831063404e-09 -9.316264997332889e-09 1.998712290312421e-09 ] [ 6.166367496026613e-09 6.998048247477154e-09 5.535693259939046e-10 ] [ -3.161506392447608e-09 1.38580266816096e-10 -1.504008711782757e-08 ] [ 3.740230051605735e-09 9.610643642455833e-10 7.60381007907024e-09 ] [ -3.504091007301857e-09 1.371333058619659e-08 5.639326049213942e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3822625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.342986500690856e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4382433 2.0187953 2.7359341 ] [ 6.0165801 2.0532791 1.8909832 ] [ 4.5009232 1.3853076 3.3648165 ] [ 5.3333906 4.1378942 1.5103368 ] [ 3.1860016 3.7017681 1.4932438 ] [ 4.293977 3.2050913 4.6292127 ] [ 3.1277932 4.8463194 3.7284558 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4382433e-10 2.0187953e-10 2.7359341e-10 ] [ 6.0165801e-10 2.0532791e-10 1.8909832e-10 ] [ 4.5009232e-10 1.3853076e-10 3.3648165e-10 ] [ 5.333390600000001e-10 4.1378942e-10 1.5103368e-10 ] [ 3.1860016e-10 3.7017681e-10 1.4932438e-10 ] [ 4.293977e-10 3.2050913e-10 4.6292127e-10 ] [ 3.127793200000001e-10 4.8463194e-10 3.7284558e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5646966 0.6802086 -0.8875965 ] [ 0.1486891 0.9814296 -0.1090518 ] [ -0.1802188 -0.1473482 0.204655 ] [ 1.4032525 -0.9449605 -0.3454654 ] [ -1.7639733 -0.8060494 0.7881402 ] [ -0.469807 0.321576 -0.1912318 ] [ 0.2973608 -0.0848561 0.5405502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.047436903652493e-10 1.089814316187099e-09 -1.422086361003907e-09 ] [ 2.382261997877933e-10 1.572423560081096e-09 -1.747202444161574e-10 ] [ -2.88742347988631e-10 -2.360778411569626e-10 3.27893456329824e-10 ] [ 2.248258348579152e-09 -1.513993620679478e-09 -5.534965871753203e-10 ] [ -2.826196780975425e-09 -1.291433503889868e-09 1.262739802352636e-09 ] [ -7.527137916881856e-10 5.152215490103807e-10 -3.063871191135014e-10 ] [ 4.764245217023846e-10 -1.359544595522669e-10 8.660568928087642e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.452236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.315503463748411e-18 } }