{ "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" [ [ 0.1566283 0.5933374 0.8739195 ] [ 1.297564 0.9258578 2.544594 ] [ 0.4571517 2.983075 2.098516 ] [ 2.386894 1.49419 0.7409216 ] [ 2.718839 0.4423949 1.931638 ] [ 1.685227 2.953094 0.1464224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.566283e-11 5.933374e-11 8.739195e-11 ] [ 1.297564e-10 9.258578e-11 2.544594e-10 ] [ 4.571517e-11 2.983075e-10 2.098516e-10 ] [ 2.386894e-10 1.49419e-10 7.409215999999999e-11 ] [ 2.718839e-10 4.423949e-11 1.931638e-10 ] [ 1.685227e-10 2.953094e-10 1.464224e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.7477194 -3.2567699 -9.9225526 ] [ -29.5795095 3.6725968 35.3562975 ] [ -3.7040557 5.1469443 1.7441214 ] [ 10.9604455 5.1361846 -31.8915308 ] [ 41.4834134 -36.884615 17.7744134 ] [ -9.4125744 26.1856592 -13.060749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.56175681287986e-08 -5.217920593105155e-09 -1.589768179437825e-08 ] [ -4.73915985756315e-08 5.884148730584894e-09 5.664703325254948e-08 ] [ -5.934551444680979e-09 8.246313826019822e-09 2.794390530916965e-09 ] [ 1.756056953365257e-08 8.229074886233e-09 -5.109586504928313e-08 ] [ 6.646375510046145e-08 -5.909566782020899e-08 2.847774959791424e-08 ] [ -1.508060664522059e-08 4.195405097047643e-08 -2.092562669793698e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.654288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.988746411127e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1703679 0.3139726 0.6036621 ] [ 0.8008328 0.9195311 2.9325708 ] [ 0.5206084 3.2127623 2.3298944 ] [ 2.4404903 1.1055596 -0.0350434 ] [ 3.1090953 0.497987 2.2388934 ] [ 1.6609092 3.3421365 0.2660341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.703679e-11 3.139726e-11 6.036621e-11 ] [ 8.008328e-11 9.195311e-11 2.9325708e-10 ] [ 5.206084e-11 3.2127623e-10 2.3298944e-10 ] [ 2.4404903e-10 1.1055596e-10 -3.50434e-12 ] [ 3.1090953e-10 4.97987e-11 2.2388934e-10 ] [ 1.6609092e-10 3.3421365e-10 2.660341e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 -2.8e-06 -5.3e-06 ] [ 1.12e-05 -1.19e-05 1.97e-05 ] [ -1e-06 1e-06 -4.48e-05 ] [ -1.14e-05 7.7e-06 4.1e-06 ] [ 1.5e-05 -1.16e-05 7.3e-06 ] [ 1.6e-06 1.76e-05 1.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.467351996032e-14 -4.48609453824e-15 -8.491536090240001e-15 ] [ 1.794437815296e-14 -1.906590178752e-14 3.156287942976e-14 ] [ -1.6021766208e-15 1.6021766208e-15 -7.177751261183999e-14 ] [ -1.826481347712e-14 1.233675998016e-14 6.568924145279999e-15 ] [ 2.4032649312e-14 -1.858524880128e-14 1.169588933184e-14 ] [ 2.56348259328e-15 2.819830852608e-14 3.04413557952e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.044415 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.410380998661283e-18 } }