{ "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" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8309971 0.8499916 0.0104392 ] [ -7.927578 -4.544333 -2.5990782 ] [ 0.0618908 0.7053253 -0.3439034 ] [ 0.3348996 -4.5986843 -1.353981 ] [ 4.9996772 2.2683197 -0.1200607 ] [ 3.3621075 5.3193806 4.406584 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.331404136541761e-09 1.361836680616274e-09 1.67254423176528e-11 ] [ -1.270138023581245e-08 -7.280824149715122e-09 -4.164182361978778e-09 ] [ 9.91599936195672e-11 1.13005571502904e-09 -5.509939918331556e-10 ] [ 5.365683138559464e-10 -7.367904532602647e-09 -2.169316721079954e-09 ] [ 8.010365987382544e-09 3.63424882178189e-09 -1.923584482016838e-10 ] [ 5.386690077496155e-09 8.5225873046729e-09 7.060125920558254e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.991286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.843827784881132e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.892719 5.5423117 2.0557461 ] [ 2.7025757 3.4060327 1.056337 ] [ 2.5749851 3.6272835 3.4086606 ] [ 4.4683618 2.6124085 2.4167866 ] [ 4.7860951 4.5274355 1.0638701 ] [ 4.6585053 4.748688 3.4161937 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.892719e-10 5.5423117e-10 2.0557461e-10 ] [ 2.7025757e-10 3.4060327e-10 1.056337e-10 ] [ 2.5749851e-10 3.6272835e-10 3.4086606e-10 ] [ 4.4683618e-10 2.6124085e-10 2.4167866e-10 ] [ 4.7860951e-10 4.5274355e-10 1.0638701e-10 ] [ 4.6585053e-10 4.748688e-10 3.4161937e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-06 -1.23e-05 -1.3e-06 ] [ -8.4e-06 -7.7e-06 -4.4e-06 ] [ 3.5e-06 9.2e-06 -5e-07 ] [ -3.6e-06 9.1e-06 -9.4e-06 ] [ 2.7e-06 5e-07 4.4e-06 ] [ 3.8e-06 1.2e-06 1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.0441356046e-15 -1.97067725982e-14 -2.0828296242e-15 ] [ -1.34582837256e-14 -1.23367600818e-14 -7.0495771896e-15 ] [ 5.607618218999999e-15 1.47400250328e-14 -8.010883169999999e-16 ] [ -5.767835882399999e-15 1.45798073694e-14 -1.50604603596e-14 ] [ 4.3258769118e-15 8.010883169999999e-16 7.0495771896e-15 ] [ 6.088271209199999e-15 1.9226119608e-15 1.79443783008e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.519951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.248964582702493e-18 } }