{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9591410999999999 -0.8341578999999999 4.172855299999999 ] [ -0.7922701999999999 -0.29328409999999994 0.2792454999999999 ] [ 0.25464749999999997 -4.074124599999999 -1.9219123999999999 ] [ 3.4844984999999995 -0.23592749999999998 1.4028201999999999 ] [ -1.4768380999999997 2.1172267999999996 0.6520040999999999 ] [ -2.8509470999999995 3.2540079999999993 -0.8687783999999998 ] [ -0.5661660999999999 -0.9465791999999998 -0.8107863999999999 ] [ -0.012065499999999998 1.0128385999999998 -2.9054479999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.138890067268395e-09 -1.336468285435624e-09 6.685651203641369e-09 ] [ -1.26935679179654e-09 -4.698929282723692e-10 4.474006115636063e-10 ] [ 4.07990271045168e-10 -6.527467184346151e-09 -3.079243114505617e-09 ] [ 5.582782031912668e-09 -3.77997524703792e-10 2.24756572762598e-09 ] [ -2.366155476526692e-09 3.392171279891197e-09 1.044625725685745e-09 ] [ -4.56772079075756e-09 5.213495541496166e-09 -1.391936441136031e-09 ] [ -9.070980889095147e-10 -1.516587063975567e-09 -1.299023014542597e-09 ] [ -1.93310620182624e-11 1.622746325563803e-09 -4.655040858550118e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.451998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.359600911464837e-18 } }