{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9384904 0.5811621 -0.15118059999999997 ] [ -0.8860025 0.5915636 -1.8708275999999995 ] [ -1.3858568 0.2200838 -0.5259659999999999 ] [ 1.5920146 0.2823171 0.3984971999999999 ] [ -0.5580962 -2.4123878 0.6288409999999999 ] [ 1.0883922 1.1645333 2.6372210999999997 ] [ -1.2549545 -2.575682 -3.4415937999999993 ] [ 3.3429936 2.14841 2.3250086999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.10580399852524e-09 9.311243295150317e-10 -2.422180228385164e-10 ] [ -1.419532491470352e-09 9.477893696362829e-10 -2.997396242267373e-09 ] [ -2.220387364736702e-09 3.52613118976823e-10 -8.426904285356927e-10 ] [ 2.550688572092263e-09 4.523218572720557e-10 6.384628972942616e-10 ] [ -8.94168683797321e-10 -3.865071333463146e-09 1.007514348400493e-09 ] [ 1.743796537101078e-09 1.865788027403073e-09 4.225293990300459e-09 ] [ -2.010658760067754e-09 -4.126697483015385e-09 -5.51404112465023e-09 ] [ 5.356066189404027e-09 3.442132273892928e-09 3.7250745822966e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.739706 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.726132138746548e-18 } }