{ "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" [ [ 1.127389 1.171603 0.6946463 ] [ 1.009133 1.283908 2.574652 ] [ 0.7652821 2.93985 0.2651139 ] [ 0.0212665 2.421916 2.924129 ] [ 2.909562 0.955426 0.4927479 ] [ 2.967895 0.4293313 2.317144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.127389e-10 1.171603e-10 6.946463000000001e-11 ] [ 1.009133e-10 1.283908e-10 2.574652e-10 ] [ 7.652821e-11 2.93985e-10 2.651139e-11 ] [ 2.12665e-12 2.421916e-10 2.924129e-10 ] [ 2.909562e-10 9.55426e-11 4.927479e-11 ] [ 2.967895e-10 4.293313e-11 2.317144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -30.5457908 -27.3184688 -33.9304077 ] [ 23.9476034 -44.9008409 25.3121114 ] [ -1.9678313 24.6215156 -4.1717461 ] [ -36.1795453 49.7832738 14.1945796 ] [ 30.9121674 4.83356 -20.1847808 ] [ 13.8333967 -7.0190396 18.7802437 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.893975188360773e-08 -4.376901202741424e-08 -5.436250595115231e-08 ] [ 3.836829029167058e-08 -7.193907754424043e-08 4.055447310816515e-08 ] [ -3.152813302538471e-09 3.944801666298248e-08 -6.683874069333579e-09 ] [ -5.796602163083453e-08 7.97615973892452e-08 2.274222357720461e-08 ] [ 4.952675190653593e-08 7.744216827234048e-09 -3.233958389373272e-08 ] [ 2.216354477899187e-08 -1.124574114758938e-08 3.008926738906649e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 43.470102 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.964678112819131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6845677 0.8885981 0.1680885 ] [ 1.0364301 0.926141 3.1544399 ] [ 0.7794299 3.206639 0.2030019 ] [ -0.1346139 2.7555001 2.9314364 ] [ 3.2200204 1.0505036 0.3313844 ] [ 3.2146934 0.3746525 2.480082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.845677e-11 8.885981e-11 1.680885e-11 ] [ 1.0364301e-10 9.26141e-11 3.1544399e-10 ] [ 7.794299e-11 3.206639e-10 2.030019e-11 ] [ -1.346139e-11 2.7555001e-10 2.9314364e-10 ] [ 3.2200204e-10 1.0505036e-10 3.313844000000001e-11 ] [ 3.2146934e-10 3.746525e-11 2.480082e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3355569 1.5525027 -0.6274666 ] [ 0.3901664 -1.3046671 1.6744234 ] [ 0.2912316 -0.4253809 -1.4275346 ] [ 1.6620511 -1.3381293 -0.2861685 ] [ -0.5867607 -0.675157 2.1740238 ] [ -1.4211315 2.1908317 -1.5072774 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.376214201281235e-10 2.487383529668876e-09 -1.005312316852865e-09 ] [ 6.251154843017012e-10 -2.090307125546936e-09 2.682722024800447e-09 ] [ 4.666044607581772e-10 -6.815353329148628e-10 -2.287162561503079e-09 ] [ 2.662899414994923e-09 -2.14391948006747e-09 -4.584924803094048e-10 ] [ -9.400942755442426e-10 -1.081720760769466e-09 3.483170105422775e-09 ] [ -2.276903664382436e-09 3.510099329847519e-09 -2.41492461134021e-09 ] ] } "relaxed-potential-energy" { "source-value" -18.007866 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.885178189569921e-18 } }