{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43182e-10 0.0 0.0 ] "source-value" [ 5.43182 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] "source-value" [ -0.00436542 5.42411 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] "source-value" [ 0.250705 -0.013062 5.36378 ] } "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" [ [ -6.474507877016256e-09 2.953626379163739e-09 -8.462786632956366e-10 ] [ -2.368103723297585e-09 -5.109068072617354e-09 9.667941644074855e-09 ] [ 1.618891328396496e-09 5.079449594734596e-09 -7.650654358891528e-09 ] [ 6.36737881791945e-09 -2.942151910640894e-09 -2.931110190023326e-09 ] [ -1.036556363135086e-09 1.804780025600926e-09 1.162486484223994e-09 ] [ -7.275337916544984e-09 -5.57502765728566e-09 7.424308779399954e-09 ] [ -1.972375550802048e-10 -1.188731739449318e-09 -1.618228523950237e-08 ] [ 9.365473128540507e-09 4.9771232202763e-09 9.355591704231722e-09 ] ] "source-value" [ [ -4.04107 1.8435086 -0.5282056 ] [ -1.4780541 -3.1888295 6.0342546 ] [ 1.0104325 3.1703431 -4.7751629 ] [ 3.9742053 -1.8363468 -1.8294551 ] [ -0.6469676 1.1264551 0.725567 ] [ -4.5409088 -3.4796586 4.6338891 ] [ -0.123106 -0.741948 -10.1001881 ] [ 5.8454686 3.106476 5.8393011 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.561747856146497e-18 "source-value" -34.7137 } }