{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.728435 0.9719903 -1.8885648 ] [ 0.0388591 -0.1855678 -2.2548812 ] [ 1.4970278 5.4629116 -1.6401589 ] [ 0.2135046 0.1810651 -0.312196 ] [ 1.5529012 -0.9199516 2.763731 ] [ -3.2205623 -2.9504847 3.7621001 ] [ -1.162873 -0.291429 -1.4833051 ] [ -0.6472924 -2.2685339 1.0532748 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.769258147572448e-09 1.557300134304378e-09 -3.025814369425828e-09 ] [ 6.225914152532929e-11 -2.973123907332903e-10 -3.612717941321449e-09 ] [ 2.398502941847658e-09 8.75254924701712e-09 -2.627824243977046e-09 ] [ 3.420720785532556e-10 2.900982700628141e-10 -5.001931323072768e-10 ] [ 2.488021997052265e-09 -1.473924945787553e-09 4.427985194380205e-09 ] [ -5.159909622889876e-09 -4.727197606368102e-09 6.027548825329342e-09 ] [ -1.863127933559558e-09 -4.669207304231232e-10 -2.376516752733406e-09 ] [ -1.037076750101522e-09 -3.634591978072245e-09 1.687532259837796e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.219823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.162184713691412e-18 } }