{ "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" [ 5.40884 0 0 ] "si-unit" "m" "si-value" [ 5.40884e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0760511 5.4684 0 ] "si-unit" "m" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0640574 0.226818 5.41063 ] "si-unit" "m" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4930774 -2.6036177 -0.4986683 ] [ 0.4086497 1.018329 0.987387 ] [ 1.3598174 -0.8100273 1.6214348 ] [ -1.5304449 1.8516429 -2.7276796 ] [ -0.5104989 -0.6024965 1.1161467 ] [ -0.8849374 2.7684628 -1.4637859 ] [ 2.6783292 -2.2505374 2.439102 ] [ -2.0139925 0.6282442 -1.4739367 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.8999708252485e-10 -4.171455408441068e-09 -7.989546917940807e-10 ] [ 6.547289954369338e-10 1.631542916082643e-09 1.58196836708185e-09 ] [ 2.178667646837042e-09 -1.297806802269748e-09 2.597824928711524e-09 ] [ -2.452043038202594e-09 2.966658964450312e-09 -4.370224484153096e-09 ] [ -8.179094025241171e-10 -9.653058064138273e-10 1.788264148123071e-09 ] [ -1.417826013151538e-09 4.435566373714506e-09 -2.345243546836687e-09 ] [ 4.291156427045968e-09 -3.605758406516018e-09 3.907872200146522e-09 ] [ -3.226771697966544e-09 1.006558169393199e-09 -2.361506921279104e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.463133 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.681820259292097e-18 } }