{ "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" [ [ 0.0140975 0.5833675 2.011711 ] [ 0.3860738 2.863563 1.325373 ] [ 1.128451 1.622429 0.5509609 ] [ 2.086312 0.6042059 2.517228 ] [ 2.318087 2.883056 0.8671461 ] [ 2.902063 1.818717 2.74846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.40975e-12 5.833675e-11 2.011711e-10 ] [ 3.860738e-11 2.863563e-10 1.325373e-10 ] [ 1.128451e-10 1.622429e-10 5.509609e-11 ] [ 2.086312e-10 6.042059e-11 2.517228e-10 ] [ 2.318087e-10 2.883056e-10 8.671461e-11 ] [ 2.902063e-10 1.818717e-10 2.74846e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.591323 -2.8430096 2.5442419 ] [ -12.6667085 13.3488377 9.0649572 ] [ 1.3104693 -18.9594347 -14.3099899 ] [ -12.2618342 -26.0165294 -2.8701951 ] [ 13.1802898 10.1093952 -0.8126577 ] [ 17.0291066 24.3607408 6.3836436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.056046361074132e-08 -4.555003513829959e-09 4.076324889839771e-09 ] [ -2.029430422118864e-08 2.138719567779365e-08 1.452366249439263e-08 ] [ 2.099603274736142e-09 -3.037636301992426e-08 -2.292713126166413e-08 ] [ -1.964562408336587e-08 -4.168307515903585e-08 -4.598559486354718e-09 ] [ 2.111715217292871e-08 1.619703663986774e-08 -1.3020211676531e-09 ] [ 2.728363646763098e-08 3.903020937512869e-08 1.022772453143955e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7674425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.24448147769083e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1302772 0.8322857 2.2713285 ] [ 0.1125339 3.0531706 1.3061875 ] [ 0.9740178 1.1461942 0.2031335 ] [ 2.2790907 0.3659911 2.0430593 ] [ 2.5407815 2.7595548 1.0028692 ] [ 3.0589377 2.2181421 3.1943009 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.302772e-11 8.322857000000001e-11 2.2713285e-10 ] [ 1.125339e-11 3.0531706e-10 1.3061875e-10 ] [ 9.740178000000001e-11 1.1461942e-10 2.031335e-11 ] [ 2.2790907e-10 3.659911e-11 2.0430593e-10 ] [ 2.5407815e-10 2.7595548e-10 1.0028692e-10 ] [ 3.0589377e-10 2.2181421e-10 3.1943009e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.16e-05 5e-07 1.57e-05 ] [ -6.62e-05 4.47e-05 -2e-05 ] [ 5.9e-06 -1.32e-05 -3.8e-05 ] [ 3.85e-05 -8.46e-05 3.23e-05 ] [ 1.64e-05 5.11e-05 -4.7e-06 ] [ 4.7e-05 1.4e-06 1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.665054742528e-14 8.010883104e-16 2.515417294656e-14 ] [ -1.0606409229696e-13 7.161729494976001e-14 -3.2043532416e-14 ] [ 9.45284206272e-15 -2.114873139456e-14 -6.08827115904e-14 ] [ 6.16837999008e-14 -1.3554414211968e-13 5.175030485184e-14 ] [ 2.627569658112e-14 8.187122532288001e-14 -7.53023011776e-15 ] [ 7.530230117759999e-14 2.24304726912e-15 2.355199632576e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.467726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.08037951821403e-18 } }