{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44972e-10 0.0 0.0 ] "source-value" [ 5.44972 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] "source-value" [ -0.0609808 5.45304 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] "source-value" [ -0.0674249 -0.145247 5.63878 ] } "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" [ [ 2.593436887382477e-10 2.379714537050861e-10 8.147475069629683e-10 ] [ 2.258040662242173e-08 -2.946969431434912e-08 -1.832348742802097e-08 ] [ -1.984231161121216e-08 2.931136209371648e-08 2.101450872771716e-08 ] [ -2.171524863080607e-07 -1.707983778440989e-07 1.318214953156169e-07 ] [ 2.099978594222624e-07 1.658538624428444e-07 -1.389330516884066e-07 ] [ 4.871718263441137e-09 4.255731661089431e-09 4.503374653965976e-09 ] [ -8.360132869727376e-08 -5.789949076600282e-08 -7.815590270902123e-08 ] [ 8.288679861968312e-08 5.85086352730954e-08 7.72583154609681e-08 ] ] "source-value" [ [ 0.16186960000000003 0.14853010000000003 0.5085254000000001 ] [ 14.093581400000003 -18.393536600000004 -11.436621400000002 ] [ -12.384596900000004 18.294713400000003 13.116224800000003 ] [ -135.53592250000003 -106.60396340000003 82.27650660000002 ] [ 131.07035560000003 103.51783960000003 -86.71519100000002 ] [ 3.040687400000001 2.6562188000000004 2.8107854000000003 ] [ -52.179845600000014 -36.138020000000004 -48.781078000000015 ] [ 51.733871000000015 36.518218100000006 48.22084810000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.185086727130835e-18 "source-value" -26.121257 } }