{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5990438 -1.7248275 -2.762986 ] [ 0.6437873 0.6883729 4.9416188 ] [ -2.205021 -3.4618222 -4.8441627 ] [ -0.5897188 0.4645968 6.909609 ] [ 1.4211237 0.0889413 -5.2311299 ] [ 1.1356722 0.5399478 4.0505563 ] [ 0.5419322 1.2868249 -3.35641 ] [ -0.3487319 2.1179659 0.2929043 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.59773971195191e-10 -2.763478295412912e-09 -4.426791572797709e-09 ] [ 1.031460960827956e-09 1.102894966772296e-09 7.91734611026575e-09 ] [ -3.532833094573037e-09 -5.546450594206421e-09 -7.761204225291404e-09 ] [ -9.448336742062311e-10 7.443661310584934e-10 1.107041399866927e-08 ] [ 2.276891167404793e-09 1.42499671483559e-10 -8.381194026147842e-09 ] [ 1.819547447732502e-09 8.650917416123943e-10 6.489706605094152e-09 ] [ 8.682711008987097e-10 2.061720769843298e-09 -5.377561631819328e-09 ] [ -5.587300971071635e-10 3.393355448631631e-09 4.692844215917895e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -30.111329 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.824366734501705e-18 } }