{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.146488 0.2959799 2.352543 ] [ 2.393537 2.53814 1.109639 ] [ 1.99319 1.640865 4.12466 ] [ 3.097066 3.51077 3.500726 ] [ 3.970578 1.750203 2.795194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146488e-10 2.959799e-11 2.352543e-10 ] [ 2.393537e-10 2.53814e-10 1.109639e-10 ] [ 1.99319e-10 1.640865e-10 4.12466e-10 ] [ 3.097066e-10 3.51077e-10 3.500726e-10 ] [ 3.970578e-10 1.750203e-10 2.795194e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5073449 -3.3412799 -3.22091 ] [ -0.6300844 0.6218695 -1.0535172 ] [ -3.4967523 -0.8080744 5.3309226 ] [ -1.9138232 9.1624331 1.4483764 ] [ 7.5480048 -5.6349483 -2.5048719 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.415032758262114e-09 -5.353320539328962e-09 -5.160466699700928e-09 ] [ -1.009506494810795e-09 9.963447740885855e-10 -1.687920627450678e-09 ] [ -5.602414783788628e-09 -1.294677911546988e-09 8.541079557014351e-09 ] [ -3.066282787384642e-09 1.467983610246407e-08 2.320554806198469e-09 ] [ 1.209323682424618e-08 -9.028182425676704e-09 -4.013247196278875e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2783671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.16612296052199e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9222786 0.3989315 2.1922883 ] [ 2.5567826 2.5821236 1.0603668 ] [ 2.1363092 1.5144583 4.4638499 ] [ 2.7708069 3.6976513 3.3319245 ] [ 4.2146817 1.5427931 2.8343326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9222786e-10 3.989315e-11 2.1922883e-10 ] [ 2.5567826e-10 2.5821236e-10 1.0603668e-10 ] [ 2.1363092e-10 1.5144583e-10 4.4638499e-10 ] [ 2.7708069e-10 3.6976513e-10 3.3319245e-10 ] [ 4.2146817e-10 1.5427931e-10 2.8343326e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.11e-05 -1.93e-05 1.59e-05 ] [ 7.3e-06 1.1e-05 -3e-07 ] [ -1.77e-05 -1.65e-05 -1.9e-06 ] [ 7.1e-06 9e-06 -5.2e-06 ] [ 2.45e-05 1.59e-05 -8.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.380592669888e-14 -3.092200878144e-14 2.547460827072e-14 ] [ 1.169588933184e-14 1.76239428288e-14 -4.8065298624e-16 ] [ -2.835852618816e-14 -2.64359142432e-14 -3.04413557952e-15 ] [ 1.137545400768e-14 1.44195895872e-14 -8.33131842816e-15 ] [ 3.92533272096e-14 2.547460827072e-14 -1.377871893888e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }