{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6289265 0.4068617 2.0231551 ] [ -0.4870092 -0.7518705 -0.323455 ] [ 2.2548408 2.009822 1.3070311 ] [ -1.7004675 -0.512326 -3.6023307 ] [ 0.1351389 -0.1283752 -0.4085606 ] [ -2.396659 0.8508487 -0.1804697 ] [ 2.9026494 -1.6253172 0.8372066 ] [ -2.3374199 -0.2496437 0.3474232 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.609827976803401e-09 6.518643090095177e-10 3.241451828177933e-09 ] [ -7.802747607830327e-10 -1.204629346893897e-09 -5.182320431504699e-10 ] [ 3.612653243149867e-09 3.220089846899148e-09 2.094094688331317e-09 ] [ -2.724449295376395e-09 -8.208367461906838e-10 -5.771570075480863e-09 ] [ 2.165163879244626e-10 -2.056797458250768e-10 -6.545862468930203e-10 ] [ -3.839871049465805e-09 1.363209906209276e-09 -2.891443364849898e-10 ] [ 4.650557045374119e-09 -2.604045240678304e-09 1.341352852350584e-09 ] [ -3.744959547626616e-09 -3.999733029653057e-10 5.566333331495087e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.091546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.782503168613616e-18 } }