{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.439487 -3.3684767 -5.4752279 ] [ 2.0523087 0.6657207 6.9859791 ] [ -3.9797692 2.5155395 -1.2502183 ] [ -0.3848119 -0.1130044 -0.5713944 ] [ 2.0839895 0.1260156 0.520857 ] [ 1.2518609 -0.4600544 -1.3178405 ] [ 2.4159091 0.6342597 1.107845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.510665704346758e-09 -5.396894660913428e-09 -8.772282207204888e-09 ] [ 3.288161044894916e-09 1.066602150310124e-09 1.119277247963235e-08 ] [ -6.376293220952872e-09 4.030338608804043e-09 -2.003070547659202e-09 ] [ -6.165366346651445e-10 -1.810530092191896e-10 -9.154747564784494e-10 ] [ 3.338919282401343e-09 2.018992498394904e-10 8.345049150553379e-10 ] [ 2.00570228299821e-09 -7.370884100488895e-10 -2.111413256438877e-09 ] [ 3.870713109887969e-09 1.01619607122785e-09 1.77496337309373e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.118696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.063152800374926e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5580958 1.946535 2.6050805 ] [ 2.624004 3.0132097 4.4513066 ] [ 1.9777206 4.285038 2.4106092 ] [ 3.6554011 1.4581583 1.6364944 ] [ 4.7767 2.5119343 3.457139 ] [ 4.130416 3.7837633 1.4164437 ] [ 3.9952515 4.7590734 3.5861016 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5580958e-10 1.946535e-10 2.6050805e-10 ] [ 2.624004e-10 3.0132097e-10 4.4513066e-10 ] [ 1.9777206e-10 4.285038e-10 2.4106092e-10 ] [ 3.6554011e-10 1.4581583e-10 1.6364944e-10 ] [ 4.7767e-10 2.5119343e-10 3.457139e-10 ] [ 4.130416e-10 3.7837633e-10 1.4164437e-10 ] [ 3.9952515e-10 4.7590734e-10 3.5861016e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.15e-05 -1.53e-05 7.2e-06 ] [ 9.4e-06 5.9e-06 -4e-07 ] [ -2.31e-05 2.32e-05 -6.7e-06 ] [ 1.34e-05 -1.76e-05 -1.1e-05 ] [ 2.97e-05 -6.3e-06 2.05e-05 ] [ 1.52e-05 1.39e-05 -2.45e-05 ] [ -3.1e-06 -3.7e-06 1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.649033031099999e-14 -2.45133025002e-14 1.15356717648e-14 ] [ 1.50604603596e-14 9.452842140600001e-15 -6.408706536e-16 ] [ -3.70102802454e-14 3.71704979088e-14 -1.07345834478e-14 ] [ 2.14691668956e-14 -2.81983087584e-14 -1.7623942974e-14 ] [ 4.75846460298e-14 -1.00937127942e-14 3.2844620997e-14 ] [ 2.43530848368e-14 2.22702552126e-14 -3.925332753299999e-14 ] [ -4.9667475654e-15 -5.9280535458e-15 2.38724318466e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }