{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2418088 -8.0159491 -2.7691624 ] [ -10.8271782 7.7521518 -0.6407784 ] [ -10.230115 -8.1815592 1.554478 ] [ 5.317603 -3.4560445 0.9371272 ] [ 6.9249967 -4.060478 1.7734018 ] [ 7.4252017 5.457863 -0.6106815 ] [ 5.6313005 10.504016 -0.2443846 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.796126889263704e-09 -1.28429662415428e-08 -4.436687256478418e-09 ] [ -1.734705178127543e-08 1.242031637485264e-08 -1.026640171593631e-09 ] [ -1.639045108109539e-08 -1.310830287193115e-08 2.490548309147943e-09 ] [ 8.519739205295944e-09 -5.537193698344425e-09 1.501443290555766e-09 ] [ 1.109506781185715e-08 -6.505602920872743e-09 2.841302903244638e-09 ] [ 1.189648456846442e-08 8.744460498129351e-09 -9.784196220550752e-10 ] [ 9.02233800579935e-09 1.682928885970913e-08 -3.915472926035597e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.288621 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.648418802647192e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.971391 2.6254745 0.533034 ] [ 1.1264486 5.9787453 0.8035765 ] [ 2.0390375 2.3096551 2.8490734 ] [ 5.2559099 1.8758971 1.2761089 ] [ 4.4249804 2.9018433 3.4295695 ] [ 3.3093095 5.027788 0.5615883 ] [ 4.4195181 5.2972207 2.7578882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.971391e-10 2.6254745e-10 5.33034e-11 ] [ 1.1264486e-10 5.9787453e-10 8.035765000000001e-11 ] [ 2.0390375e-10 2.3096551e-10 2.8490734e-10 ] [ 5.2559099e-10 1.8758971e-10 1.2761089e-10 ] [ 4.4249804e-10 2.9018433e-10 3.4295695e-10 ] [ 3.3093095e-10 5.027788e-10 5.615883000000001e-11 ] [ 4.419518100000001e-10 5.2972207e-10 2.7578882e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-07 -5e-05 2.01e-05 ] [ -1.7e-06 4.5e-06 -8e-07 ] [ -9e-06 -2.3e-06 5.7e-06 ] [ 1.71e-05 -8.8e-06 7.7e-06 ] [ -9.2e-06 -6.8e-06 -3.26e-05 ] [ 7.5e-06 6.04e-05 9.7e-06 ] [ -4.3e-06 2.9e-06 -9.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-16 -8.010883104e-14 3.220375007808e-14 ] [ -2.72370025536e-15 7.2097947936e-15 -1.28174129664e-15 ] [ -1.44195895872e-14 -3.68500622784e-15 9.13240673856e-15 ] [ 2.739722021568e-14 -1.409915426304e-14 1.233675998016e-14 ] [ -1.474002491136e-14 -1.089480102144e-14 -5.223095783807999e-14 ] [ 1.2016324656e-14 9.677146789632e-14 1.554111322176e-14 ] [ -6.889359469440001e-15 4.646312200320001e-15 -1.570133088384e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.528281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288993188341284e-18 } }