{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2422976 0.2155702 0.7539187 ] [ 0.1069263 2.303076 0.5134626 ] [ 0.4438839 2.233015 2.726304 ] [ 2.36111 0.1695128 0.2725886 ] [ 2.483594 1.001172 2.982027 ] [ 2.63043 2.516837 1.068712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.422976e-11 2.155702e-11 7.539187e-11 ] [ 1.069263e-11 2.303076e-10 5.134626e-11 ] [ 4.438839e-11 2.233015e-10 2.726304e-10 ] [ 2.36111e-10 1.695128e-11 2.725886e-11 ] [ 2.483594e-10 1.001172e-10 2.982027e-10 ] [ 2.63043e-10 2.516837e-10 1.068712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5248356 -3.9747655 -0.0286249 ] [ -0.2863184 4.1801753 -1.2292978 ] [ 0.5745715 -0.2283298 1.9599101 ] [ 2.1620483 0.6158888 0.9986705 ] [ -0.5759678 0.4892093 -1.035334 ] [ -0.349498 -1.0821781 -0.6653239 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.44305594888354e-09 -6.368276357262423e-09 -4.586214555273793e-11 ] [ -4.587326465848627e-10 6.697379136505627e-09 -1.969552195160874e-09 ] [ 9.205650242779873e-10 -3.658246673919399e-10 3.14012214108979e-09 ] [ 3.463983239300385e-09 9.867626363725671e-10 1.600046526982646e-09 ] [ -9.228021434936103e-10 7.837997031379335e-10 -1.658787929519347e-09 ] [ -5.599575246163584e-10 -1.733840451361765e-09 -1.065966397839477e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.495933 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.642939819088321e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2313366 0.2150079 0.1074062 ] [ 0.1787841 2.4114692 0.8196683 ] [ 0.4264688 2.1344437 3.0992369 ] [ 2.3942892 -0.029968 0.8180698 ] [ 2.5254122 1.2599776 2.8287387 ] [ 2.5119509 2.4482525 0.643893 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.313366e-11 2.150079e-11 1.074062e-11 ] [ 1.787841e-11 2.4114692e-10 8.196683000000001e-11 ] [ 4.264688e-11 2.1344437e-10 3.099236900000001e-10 ] [ 2.3942892e-10 -2.9968e-12 8.180698e-11 ] [ 2.5254122e-10 1.2599776e-10 2.828738700000001e-10 ] [ 2.5119509e-10 2.4482525e-10 6.43893e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.13e-05 -5.09e-05 -1.2e-05 ] [ -3.91e-05 7.65e-05 -3.87e-05 ] [ 6.2e-05 -4.15e-05 9.1e-06 ] [ -5.09e-05 1.07e-05 -1.39e-05 ] [ -6.1e-06 2.35e-05 5.68e-05 ] [ -7.2e-06 -1.83e-05 -1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.616989443904001e-14 -8.155078999872e-14 -1.92261194496e-14 ] [ -6.264510587328001e-14 1.225665114912e-13 -6.200423522496e-14 ] [ 9.93349504896e-14 -6.64903297632e-14 1.457980724928e-14 ] [ -8.155078999872e-14 1.714328984256e-14 -2.227025502912e-14 ] [ -9.77327738688e-15 3.76511505888e-14 9.100363206143999e-14 ] [ -1.153567166976e-14 -2.931983216064e-14 -2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.373205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.943711950016567e-18 } }