{ "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" [ [ 1.2490545 0.6105365 -3.5058537 ] [ 1.5474887 -0.1135148 -4.2857484 ] [ 0.1129948 7.1349886 0.4485813 ] [ 0.0952703 0.5485787 0.1813821 ] [ 1.9014573 -1.6123922 5.298653 ] [ -3.7180129 -2.7344463 3.8595583 ] [ -0.9329876 -1.2725622 -2.7125434 ] [ -0.2552651 -2.5611883 0.7159707 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.001205934492553e-09 9.78187314504141e-10 -5.616996880362445e-09 ] [ 2.479350236519035e-09 -1.818707601731832e-10 -6.866525945682885e-09 ] [ 1.810376283235032e-10 1.143151201877637e-08 7.187064773093441e-10 ] [ 1.526398485741702e-10 8.789199750500957e-10 2.906061624458514e-10 ] [ 3.046470456608728e-09 -2.583337107683854e-09 8.489378028274e-09 ] [ -5.956913393290578e-09 -4.381065968787753e-09 6.183694125820762e-09 ] [ -1.494810932531738e-09 -2.038869422151635e-09 -4.345973654190915e-09 ] [ -4.089797786956734e-10 -4.103476049534181e-09 1.147111526168624e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.265039 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.688776167889872e-18 } }