{ "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" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.797849 0.5307967 2.0164017 ] [ -6.1089104 -2.8955469 3.0931734 ] [ 0.0972516 0.1122728 1.8269348 ] [ 0.2762172 -0.3870585 0.7301635 ] [ -0.7451972 -0.4098141 -0.5190314 ] [ 4.9395789 2.6816334 -4.9271303 ] [ -0.256789 0.3677166 -2.2205117 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.880471659260266e-09 8.504300701443078e-10 3.230631688497877e-09 ] [ -9.787553502079593e-09 -4.639177585831135e-09 4.955810146390335e-09 ] [ 1.558142411391144e-10 1.798808567937552e-10 2.927072248401463e-09 ] [ 4.425487437489047e-10 -6.20136084691089e-10 1.169850898699659e-09 ] [ -1.193937541562225e-09 -6.565945753037393e-10 -8.315799813923076e-10 ] [ 7.914077895379423e-09 4.296450374433974e-09 -7.89413303933341e-09 ] [ -4.114213356682259e-10 5.891469444539244e-10 -3.557651961263617e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.701132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.957557652374968e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2616406 1.9144781 1.5025878 ] [ 2.0646773 2.89848 3.5358989 ] [ 1.5271212 4.2313407 1.6170341 ] [ 3.521516 1.6425716 2.0034238 ] [ 3.8376132 1.4807752 4.3068352 ] [ 3.7843304 3.9362109 2.1167292 ] [ 4.1030892 3.7976326 4.4212881 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2616406e-10 1.9144781e-10 1.5025878e-10 ] [ 2.0646773e-10 2.89848e-10 3.5358989e-10 ] [ 1.5271212e-10 4.2313407e-10 1.6170341e-10 ] [ 3.521516e-10 1.6425716e-10 2.0034238e-10 ] [ 3.8376132e-10 1.4807752e-10 4.3068352e-10 ] [ 3.7843304e-10 3.9362109e-10 2.1167292e-10 ] [ 4.103089200000001e-10 3.7976326e-10 4.4212881e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 -1.6e-06 -4.64e-05 ] [ 1.95e-05 3e-06 5.08e-05 ] [ -1.45e-05 -4.17e-05 1.45e-05 ] [ -2.69e-05 2.73e-05 5.4e-06 ] [ -2.52e-05 -7.4e-06 -1.53e-05 ] [ 4.03e-05 -7.8e-06 -1.9e-06 ] [ 4.8e-06 2.82e-05 -7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.204353268e-15 -2.5634826144e-15 -7.43409958176e-14 ] [ 3.1242444363e-14 4.806529901999999e-15 8.13905730072e-14 ] [ -2.3231561193e-14 -6.681076563779999e-14 2.3231561193e-14 ] [ -4.309855145459999e-14 4.37394221082e-14 8.6517538236e-15 ] [ -4.037485117679999e-14 -1.18561070916e-14 -2.45133025002e-14 ] [ 6.456771835019998e-14 -1.24969777452e-14 -3.0441356046e-15 ] [ 7.690447843199998e-15 4.51813810788e-14 -1.13754541014e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.703244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.59876668568007e-18 } }