{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0556895 -4.6483904 -0.7193029 ] [ -3.3441899 4.7129878 -0.6277513 ] [ 7.4281693 -4.3030251 -0.1083097 ] [ -7.6557097 -5.8512186 -4.2819904 ] [ 2.6857626 -3.319029 -0.1488574 ] [ 0.7745159 11.2797224 -0.4081427 ] [ 6.1671412 2.1289528 6.2943544 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.702284219659141e-09 -7.447542484589914e-09 -1.152450299148439e-09 ] [ -5.357982917438796e-09 7.551038929487063e-09 -1.005768464823124e-09 ] [ 1.190123928585613e-08 -6.894206270735513e-09 -1.735312705755498e-10 ] [ -1.226579919802715e-08 -9.374685721346192e-09 -6.860504965892312e-09 ] [ 4.303066082191088e-09 -5.317670711368385e-09 -2.384958480779916e-10 ] [ 1.240911277641481e-09 1.80721076672864e-08 -6.539166972776717e-10 ] [ 9.88084952921872e-09 3.410958431048875e-09 1.008466754579509e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4484116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.513802429393455e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5768522 2.2886577 2.8020868 ] [ 2.9236656 4.6417731 3.2602381 ] [ 5.6946711 2.6458671 1.4509625 ] [ 3.3459104 2.5003043 0.4202429 ] [ 4.8982758 1.8747839 3.604678 ] [ 4.7668614 4.8946359 1.6767276 ] [ 5.0441365 4.163388 4.629536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5768522e-10 2.2886577e-10 2.8020868e-10 ] [ 2.9236656e-10 4.6417731e-10 3.2602381e-10 ] [ 5.6946711e-10 2.6458671e-10 1.4509625e-10 ] [ 3.3459104e-10 2.5003043e-10 4.202429e-11 ] [ 4.8982758e-10 1.8747839e-10 3.604678e-10 ] [ 4.7668614e-10 4.894635900000001e-10 1.6767276e-10 ] [ 5.044136499999999e-10 4.163388000000001e-10 4.629536e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.48e-05 4e-07 -6.58e-05 ] [ 8.08e-05 -4.77e-05 -1.99e-05 ] [ 6.6e-05 -9.9e-05 -3.06e-05 ] [ -4.95e-05 6.53e-05 5.23e-05 ] [ -3.1e-06 2.11e-05 4.6e-06 ] [ -8.54e-05 9.3e-06 -1.06e-05 ] [ -3.37e-05 5.05e-05 7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.97339805232e-14 6.408706536e-16 -1.054232225172e-13 ] [ 1.294558720272e-13 -7.64238254418e-14 -3.18833150166e-14 ] [ 1.05743657844e-13 -1.58615486766e-13 -4.90266050004e-14 ] [ -7.930774338299999e-14 1.046221342002e-13 8.379383795819998e-14 ] [ -4.9667475654e-15 3.38059269774e-14 7.370012516399999e-15 ] [ -1.368258845436e-13 1.49002426962e-14 -1.69830723204e-14 ] [ -5.399335256579999e-14 8.090992001699999e-14 1.1215236438e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }