{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ 2.633754700738936e-09 -2.435727432802339e-09 -1.552112638885084e-08 ] [ 9.462366842512992e-09 1.280648131531628e-09 6.334086549045199e-09 ] [ -2.393019011709984e-09 7.664956348714763e-09 4.954091610916976e-09 ] [ -1.561113042291857e-08 -3.051270712883071e-09 3.732704948453161e-09 ] [ 6.457396310270787e-09 7.229757593859845e-09 -8.802724612250713e-09 ] [ 2.077655858296113e-09 -3.053394718429265e-09 -4.578647475093754e-10 ] [ 3.711248278712083e-09 -2.539063018314077e-09 -7.710545483371316e-10 ] [ -6.338272555902362e-09 -5.095905871242157e-09 1.053188734875039e-08 ] ] "source-value" [ [ 1.6438604000000006 -1.5202615000000004 -9.687525200000001 ] [ 5.905944900000001 0.7993177000000002 3.953425900000001 ] [ -1.4936050000000003 4.784089500000001 3.0921008000000008 ] [ -9.743701300000001 -1.9044534000000004 2.3297712000000006 ] [ 4.030389800000001 4.512459800000001 -5.4942286000000005 ] [ 1.2967708000000002 -1.9057791000000004 -0.28577670000000005 ] [ 2.3163790000000004 -1.5847585000000004 -0.48125440000000014 ] [ -3.9560386000000007 -3.1806143000000007 6.573487100000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.541690267536865e-18 "source-value" -15.863983 } }