{ "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" [ [ 2.147227 2.362862 2.450911 ] [ 2.622761 1.752099 4.557796 ] [ 1.686581 4.667086 2.204349 ] [ 1.229897 3.438837 4.460251 ] [ 4.850673 1.640741 2.950795 ] [ 3.668046 3.670667 2.833872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.147227e-10 2.362862e-10 2.450911e-10 ] [ 2.622761e-10 1.752099e-10 4.557796e-10 ] [ 1.686581e-10 4.667086e-10 2.204349e-10 ] [ 1.229897e-10 3.438837e-10 4.460251000000001e-10 ] [ 4.850672999999999e-10 1.640741e-10 2.950795e-10 ] [ 3.668046e-10 3.670667e-10 2.833872e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5810809 -6.37935 -4.5681174 ] [ 3.9559461 -3.313081 2.3398932 ] [ -1.758245 1.3592587 0.3143027 ] [ -4.1582139 3.0721917 0.5249127 ] [ -1.8222677 -0.3051117 0.4136692 ] [ 9.3638614 5.5660923 0.9753396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.941877336773423e-09 -1.022084542590048e-08 -7.318930899349683e-09 ] [ 6.338124354564939e-09 -5.308140921016685e-09 3.748922180208898e-09 ] [ -2.817019032638496e-09 2.177772510759001e-09 5.035684377943162e-10 ] [ -6.662193094865589e-09 4.922193716355807e-09 8.410028559010042e-10 ] [ -2.919594705778988e-09 -4.888428324725434e-10 6.627711209850393e-10 ] [ 1.500255981549156e-08 8.9178629522749e-09 1.562666304460424e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.269443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.286216796643822e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2210765 2.2921034 2.4000849 ] [ 2.5861517 1.4784482 4.704531 ] [ 1.8808799 4.7233966 2.6808326 ] [ 0.9739474 3.2191767 4.3212748 ] [ 4.4894969 1.9068245 3.3009579 ] [ 4.0536326 3.9123427 2.0502928 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2210765e-10 2.2921034e-10 2.4000849e-10 ] [ 2.5861517e-10 1.4784482e-10 4.704531e-10 ] [ 1.8808799e-10 4.7233966e-10 2.6808326e-10 ] [ 9.739474000000001e-11 3.2191767e-10 4.3212748e-10 ] [ 4.4894969e-10 1.9068245e-10 3.3009579e-10 ] [ 4.0536326e-10 3.9123427e-10 2.0502928e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 -2.26e-05 -3e-07 ] [ 2.56e-05 -2.35e-05 -2.06e-05 ] [ 1.26e-05 -4.4e-06 4.26e-05 ] [ -3.87e-05 3.94e-05 -1.23e-05 ] [ -8e-07 1.89e-05 2.68e-05 ] [ -1.1e-06 -7.7e-06 -3.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.84522388992e-15 -3.620919163008e-14 -4.8065298624e-16 ] [ 4.101572149248001e-14 -3.76511505888e-14 -3.300483838848e-14 ] [ 2.018742542208e-14 -7.04957713152e-15 6.825272404608e-14 ] [ -6.200423522496e-14 6.312575885952001e-14 -1.970677243584e-14 ] [ -1.28174129664e-15 3.028113813312e-14 4.293833343744e-14 ] [ -1.76239428288e-15 -1.233675998016e-14 -5.815901133504e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.538245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.97015427296625e-18 } }