{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4871892 -8.9849407 -3.40232 ] [ -8.0589341 4.8793242 -11.398955 ] [ -8.3888777 -1.6734594 9.3112923 ] [ 6.2749092 -1.4711145 -1.501678 ] [ 4.0975625 -2.7698375 4.1899864 ] [ 2.9715614 0.5834662 -2.3955076 ] [ 8.5909679 9.4365618 5.1971819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.791446250146257e-09 -1.439546192881439e-08 -5.451117560480256e-09 ] [ -1.291183580358789e-08 7.817539158543663e-09 -1.826313920255127e-08 ] [ -1.344046372569048e-08 -2.681177526537996e-09 1.491833483249506e-08 ] [ 1.005351281788283e-08 -2.356985258419882e-09 -2.405953383569702e-09 ] [ 6.565018839766801e-09 -4.43776888591512e-09 6.713098251549958e-09 ] [ 4.760966202351717e-09 9.34815904667017e-10 -3.838026271668719e-09 ] [ 1.376424791942327e-08 1.511903869669437e-08 8.326803334224925e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.681961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.031874142009739e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9175038 1.6048588 2.6528432 ] [ 1.7751462 4.0770658 2.3074726 ] [ 1.6530842 2.962061 4.7359793 ] [ 4.3417623 1.679708 2.8090798 ] [ 4.0980633 2.5544053 5.063529 ] [ 4.2525841 3.9659465 1.9891962 ] [ 3.4976291 4.8271407 4.2117499 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9175038e-10 1.6048588e-10 2.6528432e-10 ] [ 1.7751462e-10 4.0770658e-10 2.3074726e-10 ] [ 1.6530842e-10 2.962061e-10 4.735979300000001e-10 ] [ 4.3417623e-10 1.679708e-10 2.8090798e-10 ] [ 4.0980633e-10 2.5544053e-10 5.063529e-10 ] [ 4.2525841e-10 3.9659465e-10 1.9891962e-10 ] [ 3.4976291e-10 4.8271407e-10 4.2117499e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.02e-05 1.15e-05 1.41e-05 ] [ 3.17e-05 -1.98e-05 2.28e-05 ] [ 9.4e-06 -1.97e-05 -3.6e-06 ] [ -2.41e-05 2.7e-05 -4e-07 ] [ -3.39e-05 1.48e-05 -2.61e-05 ] [ -9e-07 -5.6e-06 9.3e-06 ] [ 7.8e-06 -8.2e-06 -1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.634220153216e-14 1.84250311392e-14 2.259069035328e-14 ] [ 5.078899887936e-14 -3.172309709184e-14 3.652962695424e-14 ] [ 1.506046023552e-14 -3.156287942976e-14 -5.76783583488e-15 ] [ -3.861245656128e-14 4.32587687616e-14 -6.408706483200001e-16 ] [ -5.431378744512e-14 2.371221398784e-14 -4.181680980288e-14 ] [ -1.44195895872e-15 -8.972189076479999e-15 1.490024257344e-14 ] [ 1.249697764224e-14 -1.313784829056e-14 -2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }