{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.297361 8.7384948 -7.7646031 ] [ 0.0670528 -0.0163331 6.4569657 ] [ 12.1389813 11.7812941 -13.4892533 ] [ -22.7921255 16.8088907 -12.1527446 ] [ 2.3048638 0.8758702 -2.6351195 ] [ -13.0607884 -11.5820087 6.7590524 ] [ 19.2075892 -14.212897 11.9394331 ] [ -9.1629342 -12.393311 10.8862694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.810036767093771e-08 1.400061206954237e-08 -1.24402655566112e-08 ] [ 1.074304285191782e-10 -2.616851096518848e-11 1.034519948584751e-08 ] [ 1.944879203918839e-08 1.887571396978898e-08 -2.161216626930925e-08 ] [ -3.651701061443951e-08 2.693081170112255e-08 -1.947084327667345e-08 ] [ 3.692798894488247e-09 1.40329875729542e-09 -4.221926855914186e-09 ] [ -2.092568982369584e-08 -1.85564235610422e-08 1.082919573404213e-08 ] [ 3.077395035817057e-08 -2.277157128723846e-08 1.912908057842567e-08 ] [ -1.468063895316875e-08 -1.985627313850347e-08 1.744172632041044e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.51984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.646770142735667e-18 } }