{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40884e-10 0.0 0.0 ] "source-value" [ 5.40884 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] "source-value" [ 0.0760511 5.4684 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] "source-value" [ 0.0640574 0.226818 5.41063 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 9.142513268684008e-10 -4.369014199933743e-09 -4.481646895940659e-10 ] [ 6.155394348568416e-10 1.80300865912897e-09 1.649495144901045e-09 ] [ 2.263618896495748e-09 -1.627476431601391e-09 2.717189650443717e-09 ] [ -4.395605525309161e-09 4.891824939161531e-09 -6.00851592838021e-09 ] [ -8.435982218090381e-10 -1.017381993990338e-09 1.673342903031005e-09 ] [ -1.462316535299209e-09 4.354729834053339e-09 -2.609210796867239e-09 ] [ 6.136508531433074e-09 -5.403699861646383e-09 5.615035289248332e-09 ] [ -3.228397907236656e-09 1.368009054828017e-09 -2.589171572782583e-09 ] ] "source-value" [ [ 0.5706308 -2.7269242 -0.2797224 ] [ 0.3841895 1.1253495 1.0295339 ] [ 1.4128398 -1.0157909 1.6959364 ] [ -2.7435212 3.053237 -3.7502207 ] [ -0.5265326 -0.6349999 1.0444185 ] [ -0.9127062 2.7180086 -1.6285413 ] [ 3.8301074 -3.3727242 3.5046294 ] [ -2.0150075 0.8538441 -1.6160338 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.661281957190062e-18 "source-value" -35.334943 } }