{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.290971 -0.4338393 1.2008180999999998 ] [ -0.7959939 0.4705079 -2.0745632999999994 ] [ -0.9233409 0.2480811 0.09438779999999997 ] [ 1.1553429 0.0463483 -0.052722499999999985 ] [ -0.3458855 -1.9801832 0.9677501999999998 ] [ 0.7331127 0.6461586 -0.36300899999999997 ] [ -2.3302435 -0.8852353 -1.5054112999999996 ] [ 2.7979791 1.8881619 1.7327498999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.661869373716139e-10 -6.950871893709161e-10 1.923922701504275e-09 ] [ -1.275322827386532e-09 7.538367634924084e-10 -3.323816845013931e-09 ] [ -1.47935521519653e-09 3.974697417570174e-10 1.512259276946652e-10 ] [ 1.851063398637798e-09 7.42581632856222e-11 -8.447075758606497e-11 ] [ -5.541696661394069e-10 -3.172603254079349e-09 1.550506757988826e-09 ] [ 1.174576038028652e-09 1.035260210778152e-09 -5.816045377317059e-10 ] [ -3.733461687230379e-09 -1.41830331325198e-09 -2.411934809419563e-09 ] [ 4.482856736440349e-09 3.025168877389045e-09 2.776171402345836e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.351939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183352073039332e-18 } }