{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] "source-value" [ 5.46879 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] "source-value" [ -0.164352 5.45396 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] "source-value" [ -0.164037 0.0480481 5.25114 ] } "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" [ [ 5.91330962682475e-09 9.8161356114864e-11 1.637090452632163e-09 ] [ -2.185008901684506e-09 -1.196746147341884e-09 -7.269647305623226e-10 ] [ 1.835575782864647e-09 1.268705186564861e-09 -1.11218791160826e-09 ] [ -5.006310071777415e-09 -1.456332405620521e-09 1.569497504918528e-09 ] [ 4.752561824669648e-09 1.966040544443405e-09 -2.362872456413011e-09 ] [ -3.211426370727846e-09 8.833748199029914e-10 -2.200067439308081e-09 ] [ 1.193594345493446e-10 -1.726671992724981e-09 -3.871214399062618e-10 ] [ -2.218061484936286e-09 1.634686386612653e-10 3.582625860029584e-09 ] ] "source-value" [ [ 3.6907976000000007 0.061267500000000016 1.0217915000000002 ] [ -1.3637753000000001 -0.7469502000000001 -0.45373570000000013 ] [ 1.1456763000000003 0.7918635000000003 -0.6941731000000001 ] [ -3.124693000000001 -0.9089712000000002 0.9796033000000002 ] [ 2.9663158000000003 1.2271060000000003 -1.4747890000000001 ] [ -2.0044147000000003 0.5513592000000002 -1.3731741000000002 ] [ 0.07449830000000002 -1.0777039000000002 -0.24162220000000006 ] [ -1.3844051000000002 0.10202910000000003 2.2360992000000004 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.698182488032017e-18 "source-value" -35.565258 } }