{ "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" [ [ -6.5610831 -2.9655494 -0.0740953 ] [ 3.2697757 -1.7530474 -2.5424986 ] [ 2.3429712 -9.873774 3.5180229 ] [ 4.4424008 5.8990585 -2.1818479 ] [ -3.592575 1.9913874 -7.1929818 ] [ 2.7057211 0.9701727 7.6819334 ] [ -2.6072107 5.7317522 0.7914672 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.051201394994599e-08 -4.751333916507468e-09 -1.187137573711622e-10 ] [ 5.238758181799954e-09 -2.808691559434226e-09 -4.073531815336731e-09 ] [ 3.753853679847721e-09 -1.58195298618629e-08 5.636494041819017e-09 ] [ 7.117510701983216e-09 9.451333613431517e-09 -3.495705695521577e-09 ] [ -5.755939673470561e-09 3.190554335235698e-09 -1.15244272737999e-08 ] [ 4.335043088825259e-09 1.554388018078412e-09 1.230781409602265e-08 ] [ -4.177212029039603e-09 9.183279371058967e-09 1.268070243970038e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.293877 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.969696230839084e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4122462 1.496152 2.2220057 ] [ 5.9976165 2.3187158 2.0605308 ] [ 4.3792828 1.422915 3.534132 ] [ 4.7999303 4.3157218 1.6476414 ] [ 2.7036336 3.500022 0.9152179 ] [ 4.1564089 3.1455285 5.140121 ] [ 4.4477907 5.1493999 3.8333342 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4122462e-10 1.496152e-10 2.2220057e-10 ] [ 5.9976165e-10 2.3187158e-10 2.0605308e-10 ] [ 4.3792828e-10 1.422915e-10 3.534132e-10 ] [ 4.7999303e-10 4.3157218e-10 1.6476414e-10 ] [ 2.7036336e-10 3.500022e-10 9.152179000000001e-11 ] [ 4.1564089e-10 3.1455285e-10 5.140121e-10 ] [ 4.4477907e-10 5.149399899999999e-10 3.8333342e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 -5e-07 4.9e-06 ] [ -4.9e-06 0.0 7e-07 ] [ 4.6e-06 -2.4e-06 2.8e-06 ] [ 1e-06 4.5e-06 1e-06 ] [ -3.6e-06 6.6e-06 -7.3e-06 ] [ -4.6e-06 -5.7e-06 7.9e-06 ] [ 2.6e-06 -2.6e-06 -1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-15 -8.010883104e-16 7.850665441919999e-15 ] [ -7.850665441919999e-15 0.0 1.12152363456e-15 ] [ 7.370012455680001e-15 -3.84522388992e-15 4.48609453824e-15 ] [ 1.6021766208e-15 7.2097947936e-15 1.6021766208e-15 ] [ -5.76783583488e-15 1.057436569728e-14 -1.169588933184e-14 ] [ -7.370012455680001e-15 -9.13240673856e-15 1.265719530432e-14 ] [ 4.16565921408e-15 -4.16565921408e-15 -1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }