{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7659539 -4.1131805 6.2921588 ] [ -9.0429798 13.1246987 -9.0101654 ] [ -46.5811762 17.413209 10.5662623 ] [ 2.8327596 -31.0085806 -15.3478063 ] [ 15.0337028 -44.3345446 15.7592044 ] [ 19.5439136 25.1937441 7.067721 ] [ 26.9797337 23.7246539 -15.3273748 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.404460639759058e-08 -6.590041634230455e-09 1.008114972372098e-08 ] [ -1.448845081792666e-08 2.102808541218415e-08 -1.443587635342108e-08 ] [ -7.463127147700538e-08 2.789903635290415e-08 1.692901842630044e-08 ] [ 4.53858120346676e-09 -4.968122288151244e-08 -2.458989643442695e-08 ] [ 2.40866471502155e-08 -7.10317708519349e-08 2.524902885208849e-08 ] [ 3.131280144885516e-08 4.036482778743794e-08 1.13237373485372e-08 ] [ 4.322629856954988e-08 3.801108581515155e-08 -2.455716156279908e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.246438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.801878003087671e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2236416 1.4288609 2.9124935 ] [ 1.7930988 3.7098058 1.170912 ] [ 1.952702 4.0100744 4.0812633 ] [ 3.6724062 1.2322984 1.3234499 ] [ 3.8320101 1.5325693 4.2337973 ] [ 4.5977691 3.877777 1.117662 ] [ 4.7446102 4.1540561 3.7953741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2236416e-10 1.4288609e-10 2.9124935e-10 ] [ 1.7930988e-10 3.7098058e-10 1.170912e-10 ] [ 1.952702e-10 4.0100744e-10 4.0812633e-10 ] [ 3.6724062e-10 1.2322984e-10 1.3234499e-10 ] [ 3.8320101e-10 1.5325693e-10 4.2337973e-10 ] [ 4.5977691e-10 3.877777e-10 1.117662e-10 ] [ 4.7446102e-10 4.1540561e-10 3.7953741e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 -6.3e-06 5.42e-05 ] [ 2.11e-05 7.8e-06 -3.26e-05 ] [ 3.1e-06 -4.42e-05 -3.34e-05 ] [ -1.14e-05 1.3e-05 -6.5e-06 ] [ -1.33e-05 3.11e-05 -7.8e-06 ] [ -1.61e-05 1.38e-05 -2.19e-05 ] [ 2.23e-05 -1.52e-05 4.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 -1.009371271104e-14 8.683797284736e-14 ] [ 3.380592669888e-14 1.249697764224e-14 -5.223095783807999e-14 ] [ 4.96674752448e-15 -7.081620663936001e-14 -5.351269913472e-14 ] [ -1.826481347712e-14 2.08282960704e-14 -1.04141480352e-14 ] [ -2.130894905664e-14 4.982769290688e-14 -1.249697764224e-14 ] [ -2.579504359488e-14 2.211003736704e-14 -3.508766799552e-14 ] [ 3.572853864384e-14 -2.435308463616e-14 7.69044777984e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.305738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093120207089015e-18 } }