{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5017225 1.049719 0.7964959999999999 ] [ -0.1700309 -1.1560262 0.09568789999999999 ] [ 0.140682 0.4552568 1.8313808999999999 ] [ -1.3099737 -3.1555357 1.5051933999999998 ] [ 1.3832388 3.0151099 -0.9979521999999998 ] [ -1.1702697 0.6726711 -2.0881981999999994 ] [ -0.9531651 -0.5432917 -2.4019752999999997 ] [ -0.4222039 -0.3379032 1.2593673999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.008201334252064e-09 1.681835254065846e-09 1.276127280274464e-09 ] [ -2.724195350379906e-10 -1.85215816593181e-09 1.533089175365286e-10 ] [ 2.25397413224388e-10 7.294018074296112e-10 2.93419568593389e-09 ] [ -2.098809253294525e-09 -5.055725566292834e-09 2.411585695131015e-09 ] [ 2.216192884602199e-09 4.830738630722076e-09 -1.598895696688894e-09 ] [ -1.874978768818189e-09 1.077737918787077e-09 -3.345662363200857e-09 ] [ -1.527138851564273e-09 -8.704492671861378e-10 -3.84838870110514e-09 ] [ -6.764452233636726e-10 -5.413806115938287e-10 2.017729021901331e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.008764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.448804703202037e-18 } }