{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.737750700000001 0.8130370000000002 2.3736130000000006 ] [ -1.9133408000000005 -1.4514644000000003 -0.4841284000000001 ] [ 1.9732714000000005 1.3224760000000002 -1.1546443000000002 ] [ -4.303645700000001 -1.1959901000000002 0.8864037000000002 ] [ 4.207004800000001 1.6607794000000005 -1.3264339000000003 ] [ -2.4359811000000002 0.10231000000000003 -2.2430555000000005 ] [ 0.4511734000000001 -1.0477444000000002 -0.33718570000000003 ] [ -2.7162327000000004 -0.20340350000000004 2.2854311000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.590713406718837e-09 1.30262887324537e-09 3.802947255426952e-09 ] [ -3.06550989738277e-09 -2.3255023276035e-09 -7.756592039453109e-10 ] [ 3.161529303573286e-09 2.118840128769101e-09 -1.849944102799982e-09 ] [ -6.895200524746451e-09 -1.916187376928255e-09 1.420175284730617e-09 ] [ 6.740364734153381e-09 2.660861926986253e-09 -2.125181383616566e-09 ] [ -3.902871967130667e-09 1.63918690074048e-10 -3.593771081256855e-09 ] [ 7.228594734068469e-10 -1.678671582254124e-09 -5.402310454080826e-10 ] [ -4.351884528592461e-09 -3.258883322888929e-10 3.661664276869228e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.810373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.256801254032756e-18 } }