{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3910974 -1.9424749 2.6127697 ] [ -1.837486 2.8853793 -2.0012789 ] [ 6.6751969 -2.6077321 -0.8470724 ] [ 5.6998033 6.9007776 0.7491113 ] [ -6.5901105 -1.5047513 -6.6740497 ] [ -3.031986 -4.759354 4.9083982 ] [ 1.4756798 1.0281554 1.2521217 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.830960352335666e-09 -3.112187871270818e-09 4.18611852887463e-09 ] [ -2.943977110247309e-09 4.622887256600269e-09 -3.206402265280341e-09 ] [ 1.069484441241664e-08 -4.178047403929688e-09 -1.357159595404946e-09 ] [ 9.132091590418689e-09 1.105626453606033e-08 1.200208611237095e-09 ] [ -1.05585209715886e-08 -2.410877352978407e-09 -1.069300639539725e-08 ] [ -4.857777083792908e-09 -7.625325708910964e-09 7.864120841616802e-09 ] [ 2.36429967534682e-09 1.647286544429272e-09 2.006120114136351e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.399346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.467247213681e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1331848 2.3596589 4.7362932 ] [ 2.451625 3.4413954 2.522218 ] [ 5.1359985 1.3011146 2.6449691 ] [ 4.8730888 3.6414236 3.0419957 ] [ 2.8750171 1.2765148 1.5691806 ] [ 3.1285143 0.3619792 3.8863558 ] [ 4.0912995 3.5661404 5.2681656 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1331848e-10 2.3596589e-10 4.7362932e-10 ] [ 2.451625e-10 3.4413954e-10 2.522218e-10 ] [ 5.1359985e-10 1.3011146e-10 2.6449691e-10 ] [ 4.8730888e-10 3.6414236e-10 3.0419957e-10 ] [ 2.8750171e-10 1.2765148e-10 1.5691806e-10 ] [ 3.1285143e-10 3.619792e-11 3.8863558e-10 ] [ 4.0912995e-10 3.5661404e-10 5.2681656e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 4.9e-06 8.2e-06 ] [ -4.9e-06 -5.7e-06 5.8e-06 ] [ 3.6e-06 -3.4e-06 -1e-05 ] [ 1.5e-06 -5.5e-06 -4e-07 ] [ 9.8e-06 -4e-07 -6.7e-06 ] [ -1.3e-06 1.39e-05 3.4e-06 ] [ -4.8e-06 -3.9e-06 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 7.850665441919999e-15 1.313784829056e-14 ] [ -7.850665441919999e-15 -9.13240673856e-15 9.292624400640001e-15 ] [ 5.76783583488e-15 -5.44740051072e-15 -1.6021766208e-14 ] [ 2.4032649312e-15 -8.8119714144e-15 -6.408706483200001e-16 ] [ 1.570133088384e-14 -6.408706483200001e-16 -1.073458335936e-14 ] [ -2.08282960704e-15 2.227025502912e-14 5.44740051072e-15 ] [ -7.69044777984e-15 -6.24848882112e-15 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -19.439394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.11453425893198e-18 } }