{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8340959 -1.3927415 4.584492 ] [ -0.6976381 -0.206383 0.2063119 ] [ -2.8703668 -3.3892487 -1.9824312 ] [ 2.5694379 2.4861372 -0.2050321 ] [ -0.3312477 -0.3260483 -0.1389429 ] [ -0.2911383 1.0745576 -4.1580891 ] [ 1.0714252 0.8242628 2.1126263 ] [ -0.284568 0.929464 -0.418935 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.3363689614952e-09 -2.231417888502111e-09 7.345165961159928e-09 ] [ -1.117739462808155e-09 -3.30662020254822e-10 3.305481054961446e-10 ] [ -4.59883461796935e-09 -5.430175073954875e-09 -3.176204947152581e-09 ] [ 4.116693365894029e-09 3.983230930758184e-09 -3.284976398399513e-10 ] [ -5.307173250062417e-10 -5.223869678154221e-10 -2.226110678401986e-10 ] [ -4.664549815224822e-10 1.721631078607118e-09 -6.661993198110088e-09 ] [ 1.716612420518776e-09 1.320614598435415e-09 3.384800494233874e-09 ] [ -4.55928200384112e-10 1.489165502944176e-09 -6.712078681647899e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.438794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.67792076839394e-18 } }