{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.468554 0.0062453 1.779472 ] [ 0.0137549 1.819656 0.3703857 ] [ 0.6368997 2.724291 2.946976 ] [ 2.361208 0.5254432 0.0878272 ] [ 1.952332 1.317185 1.267695 ] [ 2.764287 2.133831 2.76552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.685540000000001e-11 6.2453e-13 1.779472e-10 ] [ 1.37549e-12 1.819656e-10 3.703857e-11 ] [ 6.368997e-11 2.724291e-10 2.946976e-10 ] [ 2.361208e-10 5.254432e-11 8.782719999999999e-12 ] [ 1.952332e-10 1.317185e-10 1.267695e-10 ] [ 2.764287e-10 2.133831e-10 2.76552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.7894878 -9.6292204 8.0813979 ] [ -12.1788373 7.0844284 -2.1178402 ] [ -4.5494367 3.023498 2.6811681 ] [ 30.405689 -35.1017406 -53.4117548 ] [ -11.3320899 29.2669617 33.9574338 ] [ 9.4441626 5.356073 10.8095952 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.888884187998806e-08 -1.542771192851613e-08 1.294782688543667e-08 ] [ -1.951264855134765e-08 1.1350505647726e-08 -3.393154082985886e-09 ] [ -7.289001178602067e-09 4.844177848545732e-09 4.295704881646174e-09 ] [ 4.871528445647082e-08 -5.623918860204913e-08 -8.557506552149734e-08 ] [ -1.81560096521674e-08 4.689084218391291e-08 5.440580698496182e-08 ] [ 1.513121664541669e-08 8.581375010598281e-09 1.731888085243856e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.982829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.919860863301759e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0478228 -0.4773045 1.8404148 ] [ -0.7433114 1.444663 0.4555695 ] [ 1.4333002 3.533924 2.5038454 ] [ 3.1254237 0.9533051 -0.3729555 ] [ 1.6007887 1.3297047 1.3229742 ] [ 2.8286572 1.7423592 3.4680274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.78228e-12 -4.773045e-11 1.8404148e-10 ] [ -7.433114e-11 1.444663e-10 4.555695000000001e-11 ] [ 1.4333002e-10 3.533924e-10 2.5038454e-10 ] [ 3.1254237e-10 9.533051e-11 -3.729555e-11 ] [ 1.6007887e-10 1.3297047e-10 1.3229742e-10 ] [ 2.8286572e-10 1.7423592e-10 3.4680274e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0600001 -0.1518671 0.0436027 ] [ -0.1458911 0.0104879 -0.0214716 ] [ 0.0762725 -0.0691319 -0.0968388 ] [ 0.0308934 0.0124562 -0.0488038 ] [ 0.2357322 0.2507881 0.189456 ] [ -0.1370069 -0.0527331 -0.0659444 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613075825766338e-11 -2.433179190933414e-10 6.98592271193118e-11 ] [ -2.337433115285574e-10 1.68034683197286e-11 -3.44012958145944e-11 ] [ 1.22202017316765e-10 -1.107615148440246e-10 -1.551528626245992e-10 ] [ 4.949668362481559e-11 1.99570325884308e-11 -7.81923080104092e-11 ] [ 3.776846227214147e-10 4.018068339052554e-10 3.03541976371104e-10 ] [ -2.195092538767745e-10 -8.448774065838539e-11 -1.056545768231496e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.913585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.908766751417289e-18 } }