{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8934579 -4.4224721 0.2574618 ] [ -0.7149874 -4.0351745 0.7536527 ] [ -1.8955241 5.8093807 10.1681511 ] [ -5.8999716 3.1868559 -5.346061 ] [ 3.2551479 0.2221888 -9.3670226 ] [ 6.2390685 -8.3014829 5.9870305 ] [ -0.0902756 7.5407043 -2.4532126 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.431477359049064e-09 -7.08558140476028e-09 4.124992767090855e-10 ] [ -1.145536096446578e-09 -6.46506224474833e-09 1.207484736142796e-09 ] [ -3.036964397182962e-09 9.30765393886674e-09 1.62911739691818e-08 ] [ -9.452796560903968e-09 5.105906016838543e-09 -8.565333947570669e-09 ] [ 5.215321862626216e-09 3.55985700763607e-10 -1.500762461622523e-08 ] [ 9.996089686269726e-09 -1.330044182035098e-08 9.592280295116537e-09 ] [ -1.446374557486925e-10 1.208154013382603e-08 -3.930479873571982e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.8792604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.010907077275256e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6839963 1.3372557 2.0582454 ] [ 0.8692579 1.5787466 4.4968938 ] [ 2.8471598 3.8523443 5.8303823 ] [ 0.6675453 3.3016967 3.4482633 ] [ 4.0430798 2.8203937 1.8393275 ] [ 4.3740521 2.7756795 5.3405898 ] [ 3.6061418 4.5872605 2.831619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6839963e-10 1.3372557e-10 2.0582454e-10 ] [ 8.692579e-11 1.5787466e-10 4.4968938e-10 ] [ 2.8471598e-10 3.8523443e-10 5.830382300000001e-10 ] [ 6.675453e-11 3.3016967e-10 3.4482633e-10 ] [ 4.0430798e-10 2.8203937e-10 1.8393275e-10 ] [ 4.3740521e-10 2.7756795e-10 5.3405898e-10 ] [ 3.6061418e-10 4.5872605e-10 2.831619e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.8088595 1.4553768 -0.4927753 ] [ -1.1303135 0.8791349 0.3561159 ] [ -0.2361081 -0.9594646 -0.0444066 ] [ -1.1544517 -0.1239502 0.5969232 ] [ 0.9493568 0.5999821 -1.4523696 ] [ 1.2552663 1.1349665 1.5039278 ] [ -0.4926093 -2.9860455 -0.4674154 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.295935780411978e-09 2.331770683414718e-09 -7.895130649677064e-10 ] [ -1.810961863874621e-09 1.408529383309346e-09 5.705605692751507e-10 ] [ -3.782868778015085e-10 -1.537231750605224e-09 -7.114721632921728e-11 ] [ -1.849635523582816e-09 -1.985901125834842e-10 9.563763954531226e-10 ] [ 1.521037269757501e-09 9.612772935184877e-10 -2.326952617880648e-09 ] [ 2.011158318738119e-09 1.818416791691203e-09 2.409557960531179e-09 ] [ -7.892471036486535e-10 -4.784172288745046e-09 -7.488820260818804e-10 ] ] } "relaxed-potential-energy" { "source-value" -26.071437 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.177104683206009e-18 } }