{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8365867 3.0430123 -0.184289 ] [ -1.6929642 1.1918905 -0.627874 ] [ 2.4818476 2.7095452 -2.2391671 ] [ -1.0810509 0.9068635 -4.3534244 ] [ 0.7591949 -1.5031809 2.7460743 ] [ -2.4849751 -2.2437691 3.076846 ] [ 4.2918705 -1.9538463 1.8982692 ] [ -3.1105095 -2.1505151 -0.316435 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.340359652012223e-09 4.875443163866836e-09 -2.952635272706113e-10 ] [ -2.712427661091376e-09 1.909619093653623e-09 -1.005965043608179e-09 ] [ 3.97635820110859e-09 4.34116997244086e-09 -3.587541177684536e-09 ] [ -1.732034477874799e-09 1.452955497956861e-09 -6.974954794100268e-09 ] [ 1.216364319410594e-09 -2.408361294813103e-09 4.399696042439725e-09 ] [ -3.981369008490142e-09 -3.594914394493458e-09 4.929650727001997e-09 ] [ 6.876334574601206e-09 -3.130406862496583e-09 3.041362532224719e-09 ] [ -4.983585599676297e-09 -3.445505015897374e-09 -5.069847590028481e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.173735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.63545358832147e-18 } }