{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.9267242 -1.9695246 7.3542042 ] [ 6.1164739 -2.5820408 -3.4338939 ] [ 7.2659456 2.5124 -2.91792 ] [ -3.2726228 8.4783382 3.9434584 ] [ -6.0005829 -0.8593173 4.9154913 ] [ -7.4291654 1.9614984 -7.329937 ] [ -3.6067726 -7.5413539 -2.5314031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.109783557196958e-08 -3.155526268210472e-09 1.178273403382917e-08 ] [ 9.799671484313398e-09 -4.136885403711729e-09 -5.501704524887733e-09 ] [ 1.164132816832463e-08 4.02530854209792e-09 -4.675023205364736e-09 ] [ -5.243319738857035e-09 1.358379524727555e-08 6.318116853577375e-09 ] [ -9.613993633552264e-09 -1.37677808790898e-09 7.8754852406058e-09 ] [ -1.190283511593628e-08 3.142666878216607e-09 -1.174385369333689e-08 ] [ -5.778686736262031e-09 -1.20825809077589e-08 -4.055754864640645e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.569535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.218214752732733e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5751474 2.198672 2.2538663 ] [ 2.28392 2.8215567 4.3499383 ] [ 2.1248228 0.6877789 3.7968246 ] [ 4.1378977 0.7683741 2.8982998 ] [ 4.5922741 2.2821057 1.3518127 ] [ 3.8436411 1.3940276 4.9931227 ] [ 4.2973029 2.9062945 3.4524876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5751474e-10 2.198672e-10 2.2538663e-10 ] [ 2.28392e-10 2.8215567e-10 4.3499383e-10 ] [ 2.1248228e-10 6.877789e-11 3.7968246e-10 ] [ 4.1378977e-10 7.683741e-11 2.8982998e-10 ] [ 4.5922741e-10 2.2821057e-10 1.3518127e-10 ] [ 3.8436411e-10 1.3940276e-10 4.9931227e-10 ] [ 4.2973029e-10 2.9062945e-10 3.4524876e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.14e-05 7.28e-05 -9e-07 ] [ -3.28e-05 -1.14e-05 -1.93e-05 ] [ -2.86e-05 -3.29e-05 3.9e-06 ] [ 4.88e-05 -1.76e-05 -4.29e-05 ] [ -4.72e-05 -5.45e-05 2.14e-05 ] [ 2.65e-05 4.3e-05 -6.4e-06 ] [ 1.19e-05 6e-07 4.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.428657968511999e-14 1.1663845799424e-13 -1.44195895872e-15 ] [ -5.255139316223999e-14 -1.826481347712e-14 -3.092200878144e-14 ] [ -4.582225135488e-14 -5.271161082432e-14 6.24848882112e-15 ] [ 7.818621909504e-14 -2.819830852608e-14 -6.873337703232e-14 ] [ -7.562273650176e-14 -8.731862583360001e-14 3.428657968511999e-14 ] [ 4.24576804512e-14 6.889359469439999e-14 -1.025393037312e-14 ] [ 1.906590178752e-14 9.6130597248e-16 7.081620663936001e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }