{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44714e-10 0.0 0.0 ] "source-value" [ 5.44714 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] "source-value" [ 0.103058 5.37075 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] "source-value" [ 0.0454409 0.00880856 5.43207 ] } "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" [ [ -1.182790868539392e-10 3.20007895481103e-09 -7.325318136666164e-10 ] [ 6.518331733472012e-09 -7.53710249415726e-09 -9.480066888731281e-09 ] [ -6.557212073964289e-09 8.924725715612433e-09 1.286601723723924e-08 ] [ 1.843135172596906e-09 -6.222220975204322e-09 2.152298383141267e-09 ] [ -1.421571741873306e-09 1.331049403668755e-09 5.613103064243647e-09 ] [ -5.081697288315917e-10 -3.136283165688691e-10 4.466959742857785e-09 ] [ 1.07592937293826e-09 3.633086572919341e-09 -7.895954168460154e-09 ] [ -8.321636474840506e-10 -3.015988700863448e-09 -6.989825716841546e-09 ] ] "source-value" [ [ -0.07382400000000001 1.9973322000000004 -0.45721040000000013 ] [ 4.068422700000001 -4.704289400000001 -5.916992400000001 ] [ -4.092689900000001 5.5703757000000005 8.030336400000001 ] [ 1.1503945000000002 -3.883604900000001 1.3433590000000002 ] [ -0.8872753000000002 0.8307757000000002 3.503423400000001 ] [ -0.31717460000000003 -0.19575140000000005 2.7880570000000002 ] [ 0.6715423000000001 2.2675943000000003 -4.928267000000001 ] [ -0.5193957000000001 -1.8824321000000004 -4.3627061000000005 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.928033950405227e-18 "source-value" -36.999878 } }