{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7802598 0.3110625 -0.4450308 ] [ 0.8768417 1.7337806 0.5585405 ] [ 1.1502465 -0.6359837 0.1851439 ] [ -0.5917591 -0.0418656 -1.8412108 ] [ 0.02745 -0.4180308 -0.6671041 ] [ 1.3372658 -0.187045 -0.7802472 ] [ -0.4000657 -0.9712883 2.024834 ] [ -0.6197193 0.2093704 0.9650744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.852290630510084e-09 4.983770651076e-10 -7.130179432959207e-10 ] [ 1.404855271882527e-09 2.777822742916596e-09 8.948805308699424e-10 ] [ 1.842898050457027e-09 -1.018958215349881e-09 2.966332280637331e-10 ] [ -9.481025951656493e-10 -6.707608553576449e-11 -2.949944897724465e-09 ] [ 4.397974824096e-11 -6.697591745343206e-10 -1.068818592659825e-09 ] [ 2.142536000555409e-09 -2.99679126037536e-10 -1.250093822284662e-09 ] [ -6.409759113239866e-10 -1.556175406316577e-09 3.244141695800947e-09 ] [ -9.928997739185415e-10 3.354483599675443e-10 1.546219641012587e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.23029424065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.760597460188111e-18 } }