{ "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" [ [ -1.388235092706659e-09 1.330254563847176e-09 1.444553843975048e-09 ] [ -2.030609223567617e-09 -1.351838286194283e-09 1.889271450569463e-09 ] [ -6.869780871133823e-10 -7.00599632525762e-10 -7.103272478789492e-10 ] [ 2.443502475507757e-09 -6.311183594468526e-10 -2.482920346256313e-10 ] [ -2.141091958767082e-09 -6.344797259972909e-10 -1.039295123850682e-10 ] [ 1.940089609063321e-09 2.219370303017818e-10 5.402565200163532e-10 ] [ -1.001208181221024e-10 1.134232099516186e-09 -3.300647741516308e-09 ] [ 1.963443095705764e-09 6.316124707167072e-10 4.891147218450932e-10 ] ] "source-value" [ [ -0.8664682000000002 0.8302796000000002 0.9016196000000002 ] [ -1.2674066000000002 -0.8437511000000002 1.1791905000000003 ] [ -0.4287780000000001 -0.4372799000000001 -0.4433514000000001 ] [ 1.5251143000000005 -0.3939131000000001 -0.15497170000000002 ] [ -1.3363645000000002 -0.3960111000000001 -0.06486770000000001 ] [ 1.2109087000000003 0.13852220000000004 0.33720160000000005 ] [ -0.06249050000000001 0.7079320000000001 -2.0601023000000005 ] [ 1.2254848000000003 0.3942215000000001 0.30528140000000004 ] ] } "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" -9.783263273104461e-18 "source-value" -61.062327 } }