{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] "source-value" [ 5.42386 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] "source-value" [ -0.00583756 5.42008 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] "source-value" [ 0.133978 0.025245 5.31918 ] } "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" [ [ 3.604369479603447e-09 4.004059033793912e-09 -5.626022375643129e-10 ] [ -1.535734997206072e-09 -1.177364776977729e-09 7.887661302270893e-10 ] [ 1.745694795961402e-10 8.755057294299321e-10 -1.804120890139129e-09 ] [ 7.140095304065337e-10 -1.006908244984844e-09 -1.170560172651529e-09 ] [ 3.78121693391904e-10 1.086196921812657e-09 -6.519995273457389e-10 ] [ 6.476094031870847e-10 -1.593821269722528e-10 -1.719475656214996e-09 ] [ -6.655917529259578e-10 1.436685073937313e-09 6.848303693532e-10 ] [ -3.317352996270741e-09 -5.058791610038988e-09 4.435162144553079e-09 ] ] "source-value" [ [ 2.2496705000000006 2.4991371000000004 -0.35114870000000004 ] [ -0.9585304000000002 -0.7348533000000002 0.4923091000000001 ] [ 0.10895770000000003 0.5464477000000001 -1.1260437000000003 ] [ 0.4456497000000001 -0.6284627000000002 -0.7306062000000001 ] [ 0.23600500000000005 0.6779508000000001 -0.4069461000000001 ] [ 0.4042060000000001 -0.09947850000000003 -1.0732123000000002 ] [ -0.4154297000000001 0.8967083000000002 0.42743750000000014 ] [ -2.0705289000000002 -3.157449400000001 2.7682105000000004 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.827583083899239e-18 "source-value" -36.372913 } }