{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1969577000000002 2.2208699000000003 0.38505270000000014 ] [ -1.1420588000000003 -8.839237200000001 -3.0833861000000007 ] [ -2.7414016000000005 6.971672400000002 2.8572153000000005 ] [ -16.393590900000003 -11.612198400000002 8.578449600000003 ] [ 14.136163400000003 11.984031400000001 -8.374100100000001 ] [ 0.21875440000000004 -1.4725000000000001 3.2573589000000007 ] [ -3.2107596000000007 -3.173316700000001 -6.544638000000002 ] [ 7.935935500000002 3.920678600000001 2.9240478000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.91773764302654e-09 3.558225831618435e-09 6.169224337159164e-10 ] [ -1.829779908938904e-09 -1.416201918754566e-08 -4.940129122319693e-09 ] [ -4.392209551743714e-09 1.116985052715663e-08 4.57776355425206e-09 ] [ -2.626542807093964e-08 -1.860479279257117e-08 1.374419139183112e-08 ] [ 2.264863050728864e-08 1.920053493201309e-08 -1.341678740045894e-08 ] [ 3.504831853771316e-10 -2.359205074128001e-09 5.218864275134806e-09 ] [ -5.144203966129161e-09 -5.084213827134209e-09 -1.048566599519927e-08 ] [ 1.271477032227676e-08 6.281619590590877e-09 4.684841023261675e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.327565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.737487926319235e-18 } }