{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.45188 2.434317 1.979428 ] [ 1.55189 4.089359 0.857215 ] [ 1.720544 4.412025 2.913651 ] [ 3.389094 2.945578 1.506594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.45188e-10 2.434317e-10 1.979428e-10 ] [ 1.55189e-10 4.089359e-10 8.57215e-11 ] [ 1.720544e-10 4.412025e-10 2.913651e-10 ] [ 3.389094e-10 2.945578e-10 1.506594e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.9592967 -43.1901582 -0.733727 ] [ -28.6647502 28.9594068 -36.1579249 ] [ 3.2848094 30.743217 30.6943751 ] [ 39.3392374 -16.5124657 6.1972767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.236525881555059e-08 -6.919826171669341e-08 -1.175560245449722e-09 ] [ -4.592599261151212e-08 4.639808452719654e-08 -5.793138193142217e-08 ] [ 5.262844824464075e-09 4.925606352558112e-08 4.917781017528566e-08 ] [ 6.302840644238099e-08 -2.645588649630191e-08 9.929131841368574e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.5811822 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.535074612046511e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1568031 2.0795979 2.0727871 ] [ 1.4410734 4.2500641 0.4697334 ] [ 1.8882397 4.4657333 3.137128 ] [ 3.6272918 3.0858837 1.5772395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1568031e-10 2.0795979e-10 2.0727871e-10 ] [ 1.4410734e-10 4.2500641e-10 4.697334e-11 ] [ 1.8882397e-10 4.4657333e-10 3.137128e-10 ] [ 3.6272918e-10 3.0858837e-10 1.5772395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.13e-05 -4.13e-05 9e-07 ] [ -4.46e-05 3.06e-05 -6.62e-05 ] [ 1.74e-05 2.39e-05 4.41e-05 ] [ 4.86e-05 -1.32e-05 2.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.412636202304e-14 -6.616989443904001e-14 1.44195895872e-15 ] [ -7.145707728768e-14 4.902660459647999e-14 -1.0606409229696e-13 ] [ 2.787787320192e-14 3.829202123712e-14 7.065598897728e-14 ] [ 7.786578377088e-14 -2.114873139456e-14 3.412636202304e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.114379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.940937480931048e-18 } }