{ "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" [ [ 3.108697400000001 0.3904201000000001 1.3044052000000002 ] [ -1.1916411000000002 -0.8495104000000002 -0.4011406000000001 ] [ 1.1282787000000003 0.8177388000000002 -0.6523139000000001 ] [ -2.7456296000000004 -0.8001310000000003 0.7157506000000001 ] [ 2.7137779000000006 1.0498146000000002 -0.9513288000000002 ] [ -1.6361342000000005 0.18952810000000006 -1.3367463000000002 ] [ 0.20329980000000006 -0.7421686000000001 -0.27464210000000006 ] [ -1.5806489000000004 -0.05569170000000002 1.5960159000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.980682295421748e-09 6.255219565103982e-10 2.089887515489948e-09 ] [ -1.909219510804395e-09 -1.361065702006457e-09 -6.426980909736847e-10 ] [ 1.807701754886617e-09 1.310161987281048e-09 -1.045122080002869e-09 ] [ -4.398983554496456e-09 -1.281951181777325e-09 1.146758877643573e-09 ] [ 4.347951505423721e-09 1.681988408294504e-09 -1.524196762053719e-09 ] [ -2.621375963731313e-09 3.036574908046446e-10 -2.141703669800903e-09 ] [ 3.257221865733159e-10 -1.189085179611867e-09 -4.400251517074157e-10 ] [ -2.532478713273238e-09 -8.922793971260738e-11 2.557099361405072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.970647 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.321174007124966e-18 } }